Lightdock

Latest version: v0.9.4

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0.9.1

This new release includes:
- Minor fix not affecting any previous simulation: 394557a
- Support for **ANM in receptor if membrane** beads are specified: b30bb55 (issue 15)
- New flag `--now` **to remove crystal waters** from input structures: 03ab11e
- NumPy is not required anymore before installing the lightdock Pip package: 4724cb2 (issue 14)
- **Support for residue insertion codes** in restraints: 03ab11e & 86290a8 (useful in antibody-antigen)
- Use of black and flake8 tools for code linting and formatting.
- Several new tests

0.9.0

Major improvements:
- Support for installation on Google Colab
- Number of swarms automatically calculated

0.8.2

- Fixes support for `MPI`: issue 9
- Fixes problem with `scipy` dependency to continue supporting Python 3.6+
- Minor: 50a28d35075855d1d938cc8f9e3b40d4922c4b0d c64e12b9fe66f1f9778a4cd1fe76ba701e4e8c3d 3d191b31c754a61f3ce582064b825d7e957440ea

0.8.1

This release includes all the previous changes from https://github.com/lightdock/lightdock/releases/tag/0.8.1b1 and:

- Removes BioPython from dependencies (rotamer code which have been removed and [bin/lgd_cluster_bsas.py](lgd_cluster_bsas.py))
- More tests to improve coverage
- Fix for issue 8
- A patch to avoid infinite loop in setup (0186e41d5caff1a91c3e4ce0e275ff6e18fb079b). There is a timeout of 10 minutes now, but code for generating starting swarm centers over the surface will change in the future to deal with corner and degenerate cases.

**Important**: Please note RMSD calculation in `lgd_cluster_bsas.py` is using ProDy so slight differences in `cluster.repr` cluster file might appear.

0.8.1b1

**Minor changes:**

- Added developer documentation: 56c63a3bad9ed5371deefdc6e127df747385573b
- Bug fixes: 94bec457d5ab946c46597ed2cfae645cff2be1e8, 9ae5f057ed6664f8c28e6cdac3284fca7e143a6b, 71cfd19e15ea02c007184b4b449d573f5f074766

**New on this release:**
- A new script for generating a coarse-grained artificial membrane: https://github.com/lightdock/lightdock/issues/5
- Blocking residues as restraints: e13d3211ab4110e52c708288b726ec4611f02d5e
- A new nucleic scoring function `DDNA`: 60331163bd040f5e6d043e5e34eedbc26c4b424d

0.8.0

Moved from beta

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